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EnsembleMD Toolkit: Scalable and Flexible Execution of Ensembles of Molecular Simulations.
Vivekanandan Balasubramanian
Antons Treikalis
Ole Weidner
Shantenu Jha
Published in:
CoRR (2016)
Keyphrases
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molecular dynamics
lightweight
decision trees
data flow
scientific data
three dimensional
data sets
ensemble methods
data mining
web scale
memory efficient
real time
molecular dynamics simulations
highly efficient
machine learning
highly scalable
highly flexible
execution model